(4-ethanoyl-3,3-dimethyl-2-morpholin-4-yl-2H-1-benzofuran-5-yl) methanesulfonate

Systemtic Name: (4-ethanoyl-3,3-dimethyl-2-morpholin-4-yl-2H-1-benzofuran-5-yl) methanesulfonate Openeye Name: (4-acetyl-3,3-dimethyl-2-morpholino-2H-benzofuran-5-yl) methanesulfonate CAS Name: methanesulfonic acid [4-acetyl-3,3-dimethyl-2-(4-morpholinyl)-2H-benzofuran-5-yl] ester IUPAC Name: (4-acetyl-3,3-dimethyl-2-morpholin-4-yl-2H-1-benzofuran-5-yl) methanesulfonate Traditional Name: methanesulfonic acid (4-acetyl-3,3-dimethyl-2-morpholino-coumaran-5-yl) ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC2=C1C(C(O2)N3CCOCC3)(C)C)OS(=O)(=O)C

Isomeric SMILES

CC(=O)C1=C(C=CC2=C1C(C(O2)N3CCOCC3)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C17H23NO6S/c1-11(19)14-12(24-25(4,20)21)5-6-13-15(14)17(2,3)16(23-13)18-7-9-22-10-8-18/h5-6,16H,7-10H2,1-4H3